5,7-Dinitro-1-picrylbenzotrizole
TL;DR: 5,7-Dinitro-1-picrylbenzotrizole (CAS 50892-90-5) is a chemical compound with molecular formula C12H4N8O10 and molecular weight 420.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dinitro-1-(2,4,6-trinitrophenyl)benzotriazole
Also Known As: 5,7-Dinitro-1-picrylbenzotrizole, 5,7-dinitro-1-picrylbenzotriazole, J1.091.210E, 5,7-dinitro-1-(2,4,6-trinitrophenyl)benzotriazole, 1-(2,4,6-Trinitrophenyl)-5,7-dinitro-1H-benzotriazole
| Molecular Formula | C12H4N8O10 |
|---|---|
| Molecular Weight | 420.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 260.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 1 |
| Exact Mass | 420.00504 |
| Heavy Atoms | 30 |
| Complexity | 729.0 |
Chemical Identifiers
| CAS Number | 50892-90-5 |
|---|---|
| SMILES | C1=C(C=C(C2=C1N=NN2C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | SAWVDTHMLXLYJS-UHFFFAOYSA-N |
Product Overview
5,7-Dinitro-1-picrylbenzotrizole (CAS 50892-90-5), with molecular formula C12H4N8O10 and molecular weight 420.01 g/mol. IUPAC: 5,7-dinitro-1-(2,4,6-trinitrophenyl)benzotriazole.
Chemical Property Profile of 5,7-Dinitro-1-picrylbenzotrizole
Property Insights of 5,7-Dinitro-1-picrylbenzotrizole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-Dinitro-1-picrylbenzotrizole. The TPSA of 260.0 Ų indicates high polarity, suggesting 5,7-Dinitro-1-picrylbenzotrizole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,7-Dinitro-1-picrylbenzotrizole has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,7-Dinitro-1-picrylbenzotrizole?
The CAS number of 5,7-Dinitro-1-picrylbenzotrizole is 50892-90-5.
What is the molecular formula of 5,7-Dinitro-1-picrylbenzotrizole?
The molecular formula of 5,7-Dinitro-1-picrylbenzotrizole is C12H4N8O10.
What is the molecular weight of 5,7-Dinitro-1-picrylbenzotrizole?
The molecular weight of 5,7-Dinitro-1-picrylbenzotrizole is 420.01 g/mol.
Where can I buy 5,7-Dinitro-1-picrylbenzotrizole?
You can request a quote for 5,7-Dinitro-1-picrylbenzotrizole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Dinitro-1-picrylbenzotrizole?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dinitro-1-picrylbenzotrizole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.